(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide

C16H22N2 — CID 174352020

IUPAC(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C(=C\C)/C1C=CC(C)=CC1)=C(/C)C=C
InChIInChI=1S/C16H22N2/c1-5-12(4)15(16(17)18)14(6-2)13-9-7-11(3)8-10-13/h5-9,13H,1,10H2,2-4H3,(H3,17,18)/b14-6-,15-12-
InChIKeyNAHLTMMPPBPKKM-DZGURXQASA-N
MW242.37 g/mol
LogP3.89
Rot. Bonds4

About (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide

(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 174352020) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide
PubChem CID174352020
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C(=C\C)/C1C=CC(C)=CC1)=C(/C)C=C
InChIInChI=1S/C16H22N2/c1-5-12(4)15(16(17)18)14(6-2)13-9-7-11(3)8-10-13/h5-9,13H,1,10H2,2-4H3,(H3,17,18)/b14-6-,15-12-
InChIKeyNAHLTMMPPBPKKM-DZGURXQASA-N
XLogP3.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide (CID 174352020) is (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide is [H]/N=C(N)/C(C(=C\C)/C1C=CC(C)=CC1)=C(/C)C=C.
What is the InChIKey of (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is NAHLTMMPPBPKKM-DZGURXQASA-N. The full InChI is InChI=1S/C16H22N2/c1-5-12(4)15(16(17)18)14(6-2)13-9-7-11(3)8-10-13/h5-9,13H,1,10H2,2-4H3,(H3,17,18)/b14-6-,15-12-.
What are the key properties of (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide?
(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide has a molecular weight of 242.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 174352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).